Small initialization bug with prt_gkk.

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13756 c92efa57-630b-4861-b058-cf58834340f0

EPW/src/ephwann_shuffle.f90

@@ -694,6 +694,7 @@
     ! Fine mesh set of g-matrices.  It is large for memory storage
     ! SP: Should not be a memory problem. If so, can always the number of cores to reduce nkf. 
     ALLOCATE ( epf17 (ibndmax-ibndmin+1, ibndmax-ibndmin+1, nmodes, nkf) )
+    epf17(:,:,:,:) = zero
     ! 
     ! Restart calculation
     iq_restart = 1
@@ -1245,6 +1246,7 @@
   IF ( ALLOCATED(sigmai_all) )    DEALLOCATE( sigmai_all )
   IF ( ALLOCATED(sigmai_mode) )   DEALLOCATE( sigmai_mode )
   IF ( ALLOCATED(w2) )            DEALLOCATE( w2 )
+  IF ( ALLOCATED(epf17) )        DEALLOCATE( epf17 )
   DEALLOCATE(cfac)
   DEALLOCATE(cfacq)
   DEALLOCATE(rdotk)

EPW/src/print_gkk.f90

@@ -74,9 +74,9 @@
   !! Eigenenergies at k+q
   REAL(kind=DP) :: g2
   !! Temporary electron-phonon matrix element square
-  REAL(kind=DP) :: epc(nbndsub, nbndsub, nmodes, nkqtotf/2)
+  REAL(kind=DP), ALLOCATABLE :: epc(:,:,:,:)
   !! g vectex accross all pools 
-  REAL(kind=DP) :: epc_sym(nbndsub,nbndsub, nmodes)
+  REAL(kind=DP), ALLOCATABLE :: epc_sym(:,:,:)
   !! Temporary g-vertex for each pool 
   REAL(kind=DP), PARAMETER :: eps = 0.01/ryd2mev
   !! Tolerence to be degenerate
@@ -84,7 +84,11 @@
   ! find the bounds of k-dependent arrays in the parallel case in each pool
   CALL fkbounds( nkqtotf/2, lower_bnd, upper_bnd )
   ! 
+  ALLOCATE ( epc (ibndmax-ibndmin+1, ibndmax-ibndmin+1, nmodes, nkqtotf/2) )
+  ALLOCATE ( epc_sym (ibndmax-ibndmin+1, ibndmax-ibndmin+1, nmodes) )
+  ! 
   epc(:,:,:,:)   = zero
+  epc_sym(:,:,:) = zero
   !
   ! First do the average over bands and modes for each pool
   DO ik = 1, nkf
@@ -228,4 +232,7 @@
     ENDDO
   ENDIF ! master node
   ! 
+  DEALLOCATE ( epc )
+  DEALLOCATE ( epc_sym )
+  !
   END SUBROUTINE print_gkk